5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine

C25H27Cl2N3O — CID 10173818

IUPAC5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1CCCc2c(OC)cccc21
InChIInChI=1S/C25H27Cl2N3O/c1-4-20-24(18-13-12-15(26)14-19(18)27)28-21(5-2)25(29-20)30-22-10-6-9-17-16(22)8-7-11-23(17)31-3/h7-8,11-14,22H,4-6,9-10H2,1-3H3,(H,29,30)
InChIKeyODSOJHFGDUQTQI-UHFFFAOYSA-N
MW456.42 g/mol
LogP7.07
Rot. Bonds6

About 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine

5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine (PubChem CID 10173818) has the molecular formula C25H27Cl2N3O and a molecular weight of 456.42 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
PubChem CID10173818
Molecular FormulaC25H27Cl2N3O
Molecular Weight456.42 g/mol
Exact Mass455.15
IUPAC Name5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1CCCc2c(OC)cccc21
InChIInChI=1S/C25H27Cl2N3O/c1-4-20-24(18-13-12-15(26)14-19(18)27)28-21(5-2)25(29-20)30-22-10-6-9-17-16(22)8-7-11-23(17)31-3/h7-8,11-14,22H,4-6,9-10H2,1-3H3,(H,29,30)
InChIKeyODSOJHFGDUQTQI-UHFFFAOYSA-N
XLogP7.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.42
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
CID 10127588
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 58583285
(1S,2R)-1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 58583269
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 58583381
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 10310823
2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 68811911
[(1R,2S)-1-[[5-(4-chloro-2-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 58583502
[1-[[5-(4-chloro-2-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 23593695
3-chloro-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-2-amine
CID 133361766
3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-hydroxypyrrolidine-1-carboxylic acid
CID 22147412
5-(2,4-dichlorophenyl)-N-[(3R,4S)-4-ethoxy-1-pyrimidin-2-ylpyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine
CID 11167686
N-cyclopropyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83910112

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine (CID 10173818) is 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine is CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1CCCc2c(OC)cccc21.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine?
The InChIKey is ODSOJHFGDUQTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N3O/c1-4-20-24(18-13-12-15(26)14-19(18)27)28-21(5-2)25(29-20)30-22-10-6-9-17-16(22)8-7-11-23(17)31-3/h7-8,11-14,22H,4-6,9-10H2,1-3H3,(H,29,30).
What are the key properties of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine?
5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine has a molecular weight of 456.42 g/mol, XLogP of 7.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3,6-diethyl-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine is sourced from PubChem (CID 10173818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).